input word = C00048795

Metabolite InformationStructural formula
Name Nebrosteroid E
(+)-Nebrosteroid E
Formula C29H48O3
Mw 444.3603454
CAS RN 1122463-38-0
C_ID C00048795 ,
InChIKey ZSDKIQPSLDRFPQ-ZHMOBLGDNA-N
InChICode InChI=1S/C29H48O3/c1-17(2)18(3)8-9-19(4)21-10-11-25-28(21,7)16-24(31)26-27(6)14-13-23(30)20(5)22(27)12-15-29(25,26)32/h8-9,17,19-26,30-32H,3,10-16H2,1-2,4-7H3/b9-8-/t19-,20-,21+,22-,23-,24-,25+,26+,27-,28+,29+/m0/s1
SMILES C=C(/C=C[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)[C@@H]1[C@@]3(C)CC[C@H](O)[C@@H](C)[C@@H]3CC[C@@]21O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Nephthea chabroli Ref.
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OrganismNephthea chabroli
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165